ethanedioic acid; 2-[(1-ethylpyrrolidin-2-yl)methylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 2-[(1-ethylpyrrolidin-2-yl)methylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-[(1-ethyl-2-pyrrolidinyl)methylamino]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone; oxalic acid Formula: C25H34N4O7S MolecularWeight: 534.62506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCCC1CNCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N4O3S.C2H2O4/c1-2-25-11-5-8-21(25)17-24-18-23(28)26-12-14-27(15-13-26)31(29,30)22-10-9-19-6-3-4-7-20(19)16-22;3-1(4)2(5)6/h3-4,6-7,9-10,16,21,24H,2,5,8,11-15,17-18H2,1H3;(H,3,4)(H,5,6)